3G6Z

design and preparation of potent, non-peptidic, bioavailable renin inhibitors

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 84
  • Norm. En. per Res.: -1.4377
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-21.5142	29.0943	-128.35	-120.7699	84	9	1	5834	0	12	14

Interface residues

• A-B: ALA116A, ALA116B, ALA122A, ALA57A, ALA57B, ARG251A, ARG53A, ARG53B, ARG82B, ASN14A, ASP125A, ASP165A, ASP17A, CYS259A, CYS296A, CYS58B, GLN19A, GLU113B, GLU123A, GLU23A, GLU288A, GLU78B, GLY138B, GLY173A, GLY22A, GLY86B, HIS61A, ILE11A, ILE137B, LEU117A, LEU117B, LEU121A, LEU121B, LEU12A, LEU252B, LEU295A, LEU54A, LEU54B, LEU79B, LEU81B, LYS293A, LYS294A, LYS34A, LYS50B, LYS62A, MET114B, MET120A, MET120B, MET16A, PHE119A, PHE119B, PHE124A, PHE253B, PHE286A, PHE33A, PRO115B, PRO118B, PRO308B, SER166A, SER289A, SER291A, SER52B, SER84B, SER89B, THR112B, THR13A, THR18A, THR297A, THR32A, THR56A, THR56B, THR80B, THR85B, THR87B, TYR15A, TYR20A, TYR21A, TYR55B, TYR60A, TYR83B, VAL256A, VAL59A, VAL59B, VAL88B